Paphnr

Base Information

• Chemical Name: Paphnr
• CAS No.: 116003-93-1
• Molecular Formula: C31H40 N3 O9
• Molecular Weight: 598.664
• DSSTox Substance ID: DTXSID50921897
• Nikkaji Number: J1.726.662D
• Mol file: 116003-93-1.mol

Synonyms:PAPHNR;podophyllic acid piperidyl hydrazone nitroxide radical

Chemical Property of Paphnr

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 134.80000
• Density: g/cm³
• LogP: 4.09360
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 598.27645486
• Heavy Atom Count: 43
• Complexity: 991

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=NNC(=O)C2C(C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)OC)OC)OCO4)O)CO)CC(N1[O])(C)C)C
• Isomeric SMILES: CC1(CC(=NNC(=O)[C@H]2[C@@H]([C@H](C3=CC4=C(C=C3[C@H]2C5=CC(=C(C(=C5)OC)OC)OC)OCO4)O)CO)CC(N1[O])(C)C)C